2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile

C15H20N2O2 — CID 43220626

IUPAC2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccccc1CNC1CCC(O)CC1
InChIInChI=1S/C15H20N2O2/c16-9-10-19-15-4-2-1-3-12(15)11-17-13-5-7-14(18)8-6-13/h1-4,13-14,17-18H,5-8,10-11H2
InChIKeyCJBYXFGVRZNJPZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.98
Rot. Bonds5

About 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile

2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile (PubChem CID 43220626) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile
PubChem CID43220626
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccccc1CNC1CCC(O)CC1
InChIInChI=1S/C15H20N2O2/c16-9-10-19-15-4-2-1-3-12(15)11-17-13-5-7-14(18)8-6-13/h1-4,13-14,17-18H,5-8,10-11H2
InChIKeyCJBYXFGVRZNJPZ-UHFFFAOYSA-N
XLogP1.98
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
CID 28615243
2-[2-[(oxan-4-ylamino)methyl]phenoxy]acetonitrile
CID 43778465
2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile
CID 107849941
4-[(2-prop-2-enoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220623
2-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetonitrile
CID 43223576
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 60883120
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
CID 63242767
2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43434087
2-[2-bromo-6-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 61391071
4-[[2-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylbutanamide
CID 112731938
2-[2-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenoxy]acetonitrile
CID 43435306

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile (CID 43220626) is 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile is N#CCOc1ccccc1CNC1CCC(O)CC1.
What is the InChIKey of 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile?
The InChIKey is CJBYXFGVRZNJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-9-10-19-15-4-2-1-3-12(15)11-17-13-5-7-14(18)8-6-13/h1-4,13-14,17-18H,5-8,10-11H2.
What are the key properties of 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile?
2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 43220626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).